4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline

C28H36N6OS2Si — CID 170542709

About 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline

4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline (PubChem CID 170542709) has the molecular formula C28H36N6OS2Si and a molecular weight of 564.86 g/mol. Its IUPAC name is 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline
• PubChem CID: 170542709
• Molecular Formula: C28H36N6OS2Si
• Molecular Weight: 564.86 g/mol
• Exact Mass: 564.22
• IUPAC Name: 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline
• SMILES: CC[Si](CC)(OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(C)C)cc4)nc3s2)cc1)C(C)C
• InChI: InChI=1S/C28H36N6OS2Si/c1-7-38(8-2,20(3)4)35-18-17-21-9-11-22(12-10-21)30-32-26-19-25-27(37-26)29-28(36-25)33-31-23-13-15-24(16-14-23)34(5)6/h9-16,19-20H,7-8,17-18H2,1-6H3/b32-30+,33-31+
• InChIKey: YIDGMCVPUXRQMW-RRPBDJRISA-N
• XLogP: 10.21
• TPSA: 74.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.86
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline?

The IUPAC name of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline (CID 170542709) is 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline?

The canonical SMILES for 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline is CC[Si](CC)(OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(C)C)cc4)nc3s2)cc1)C(C)C.

What is the InChIKey of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline?

The InChIKey is YIDGMCVPUXRQMW-RRPBDJRISA-N. The full InChI is InChI=1S/C28H36N6OS2Si/c1-7-38(8-2,20(3)4)35-18-17-21-9-11-22(12-10-21)30-32-26-19-25-27(37-26)29-28(36-25)33-31-23-13-15-24(16-14-23)34(5)6/h9-16,19-20H,7-8,17-18H2,1-6H3/b32-30+,33-31+.

What are the key properties of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline?

4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline has a molecular weight of 564.86 g/mol, XLogP of 10.21, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 170542709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).